CID 494272

38817-30-0

Structural Information

Molecular Formula
C9H10BrFN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2[C@H]([C@H]([C@@H](O2)CF)O)O)Br
InChI
InChI=1S/C9H10BrFN2O5/c10-3-2-13(9(17)12-7(3)16)8-6(15)5(14)4(1-11)18-8/h2,4-6,8,14-15H,1H2,(H,12,16,17)/t4-,5-,6-,8-/m0/s1
InChIKey
ONUVAOQZEVZTLW-TYQACLPBSA-N
Compound name
5-bromo-1-[(2S,3S,4R,5R)-5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.9757 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.98298 158.8
[M+Na]+ 346.96492 171.9
[M-H]- 322.96842 162.2
[M+NH4]+ 342.00952 173.2
[M+K]+ 362.93886 160.4
[M+H-H2O]+ 306.97296 157.3
[M+HCOO]- 368.97390 172.6
[M+CH3COO]- 382.98955 194.9
[M+Na-2H]- 344.95037 160.5
[M]+ 323.97515 175.7
[M]- 323.97625 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.